SCHEMBL2565440

SCHEMBL2565440

O=CCc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 2/20 0.31
BACE1 P56817 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2A13 Q16696 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5805580 0.88 P2RX7 (0.35) TAAR1P2RX7FFAR4
SCHEMBL16241902 0.81 TAAR1 (0.35) TAAR1GAACNR1
SCHEMBL12825475 0.80 MPO (0.35) TAAR1PKMGAACNR1LMNA
SCHEMBL29447983 0.80 MPO (0.35) TAAR1PKMGAACNR1LMNA
SCHEMBL22031845 0.77 TAAR1 (0.32) TAAR1GAACNR1SMN1; SMN2
SCHEMBL21811824 0.77 ERN1 (0.36) TAAR1GAACNR1LMNAHTT
SCHEMBL29457672 0.77 TAAR1 (0.32) TAAR1GAACNR1SMN1; SMN2
SCHEMBL25180090 0.77 TAAR1 (0.36) TAAR1PKMGAACNR1LMNA
SCHEMBL29569478 0.76 TAAR1 (0.55) TAAR1PKMGAACNR1LMNA
SCHEMBL1460113 0.76 TAAR1 (0.55) TAAR1PKMGAACNR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111118072-A Method for preparing enzatinib intermediate by enzyme method 长兴制药股份有限公司 2020-05-08 CN claimed
CN-111118072-A Method for preparing enzatinib intermediate by enzyme method 长兴制药股份有限公司 2020-05-08 CN disclosed
CN-111118072-A Method for preparing enzatinib intermediate by enzyme method 长兴制药股份有限公司 2020-05-08 CN disclosed
WO-2014193647-A2 ALKENYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-12-04 WO disclosed
EP-2381777-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-11-02 EP disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed